Chemical Properties of Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester

Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester

InChI
InChI=1S/C26H34O4/c1-7-9-14-23(16-19(3)4)29-25(27)21-12-11-13-22(18-21)26(28)30-24(15-10-8-2)17-20(5)6/h11-13,18-20,23-24H,7-8,16-17H2,1-6H3
InChI Key
XIRGDMCTUKOLGX-UHFFFAOYSA-N
Formula
C26H34O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OC(C#CCC)CC(C)C)c1
Molecular Weight1
410.55
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Physical Properties

Property Value Unit Source
ΔfH°gas -500.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 57.64 kJ/mol Joback Calculated Property
ΔvapH° 102.75 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
logPoct/wat 5.656 Crippen Calculated Property
McVol 351.120 ml/mol McGowan Calculated Property
Pc 1084.92 kPa Joback Calculated Property
Inp [2781.00; 2781.00]   Show Hide
Inp 2781.00 NIST
Inp 2781.00 NIST
Tboil 646.45 K Relay (1.0) Calculated Property
Tc 878.63 K Relay (1.0) Calculated Property
Tfus 305.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1118.48; 1187.66] J/mol×K [958.82; 1185.91] Show Hide
Cp,gas 1118.48 J/mol×K 958.82 Joback Calculated Property
Cp,gas 1133.97 J/mol×K 996.67 Joback Calculated Property
Cp,gas 1147.81 J/mol×K 1034.52 Joback Calculated Property
Cp,gas 1160.06 J/mol×K 1072.37 Joback Calculated Property
Cp,gas 1170.75 J/mol×K 1110.22 Joback Calculated Property
Cp,gas 1179.94 J/mol×K 1148.07 Joback Calculated Property
Cp,gas 1187.66 J/mol×K 1185.91 Joback Calculated Property

Similar Compounds

Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester.

Sources

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